8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C10H14N2O5S — CID 112599614

IUPAC8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCS(=O)(=O)CCN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C10H14N2O5S/c1-18(16,17)6-5-12-8(14)10(3-2-4-10)7(13)11-9(12)15/h2-6H2,1H3,(H,11,13,15)
InChIKeyJGBJWWRTCDTFIN-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.72
Rot. Bonds3

About 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 112599614) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID112599614
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCS(=O)(=O)CCN1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C10H14N2O5S/c1-18(16,17)6-5-12-8(14)10(3-2-4-10)7(13)11-9(12)15/h2-6H2,1H3,(H,11,13,15)
InChIKeyJGBJWWRTCDTFIN-UHFFFAOYSA-N
XLogP-0.72
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 112599614) is 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CS(=O)(=O)CCN1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is JGBJWWRTCDTFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-18(16,17)6-5-12-8(14)10(3-2-4-10)7(13)11-9(12)15/h2-6H2,1H3,(H,11,13,15).
What are the key properties of 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 274.30 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 112599614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).